Gliotoxin

SCHEMBL9667270

CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.[S-2].[S-2].[S-2].[S-2]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	EHMT2	Q96KQ7	11/20	1.00

▸	SUV39H1	O43463	3/20	1.00

▸	PKM	P14618	1/20	1.00

▸	FNTA	P49354	1/20	1.00

▸	FNTB	P49356	1/20	1.00

▸	PGGT1B	P53609	1/20	1.00

▸	RNF31	Q96EP0	1/20	1.00

▸	RBCK1	Q9BYM8	1/20	1.00

▸	SHARPIN	Q9H0F6	1/20	1.00

▸	EP300	Q09472	6/20	0.45

▸	HIF1A	Q16665	5/20	0.45

▸	NSD2	O96028	2/20	0.45

▸	TXNRD1	Q16881	1/20	0.45

▸	NSD1	Q96L73	1/20	0.45

▸	NSD3	Q9BZ95	1/20	0.45

▸	CREBBP	Q92793	2/20	0.40

▸	HKDC1	Q2TB90	1/20	0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
Gliotoxin SCHEMBL4294337	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL12149513	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL14514067	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL13341245	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL12018743	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL12618354	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL14579856	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL14986985	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL54420	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL20199940	1.00	EHMT2 (1.00)	EHMT2SUV39H1PKMFNTAFNTB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0163475-B1	IMMUNOREGULATION	THE AUSTRALIAN NATIONAL UNIVERSITY (AU)	1992-01-08	—	—	EP	disclosed
US-4886796-A	EPIPOLYTHIODIOXOPIPERAZINE	AUSTRALIAN NATIONAL UNIVERSITY (AU)	1989-12-12	—	—	US	disclosed
US-4727018-A	PRETREATMENT WITH EPIPOLYTHIODIOXOPIPERAZINES	AUSTRALIAN NATIONAL UNIVERSITY, OF ACTON, THE (AU)	1988-02-23	—	—	US	disclosed
EP-0163475-A2	Immunoregulation	THE AUSTRALIAN NATIONAL UNIVERSITY (AU)	1985-12-04	—	—	EP	disclosed